CID 72212688

1196154-25-2

Structural Information

Molecular Formula
C11H16BrN3O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(C=N2)Br)C1
InChI
InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15/h6H,4-5,7H2,1-3H3
InChIKey
AHUXCBVCMJGTTD-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

301.0426 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04988 164.5
[M+Na]+ 324.03182 165.3
[M+NH4]+ 319.07642 167.3
[M+K]+ 340.00576 168.3
[M-H]- 300.03532 161.9
[M+Na-2H]- 322.01727 163.9
[M]+ 301.04205 162.5
[M]- 301.04315 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe